PatternAtomTyper.
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#include <PatternAtomTyper.hpp>
◆ SharedPointer
◆ ConstPatternIterator
◆ PatternIterator
◆ PatternAtomTyper() [1/2]
CDPL::Chem::PatternAtomTyper::PatternAtomTyper |
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◆ PatternAtomTyper() [2/2]
CDPL::Chem::PatternAtomTyper::PatternAtomTyper |
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const PatternAtomTyper & |
typer | ) |
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◆ addPattern() [1/2]
void CDPL::Chem::PatternAtomTyper::addPattern |
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const MolecularGraph::SharedPointer & |
structure, |
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std::size_t |
atom_label = 0 , |
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std::size_t |
priority = 0 , |
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bool |
all_matches = true , |
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bool |
unique_matches = false |
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) |
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◆ addPattern() [2/2]
void CDPL::Chem::PatternAtomTyper::addPattern |
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const Pattern & |
ptn | ) |
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◆ getPattern()
const Pattern& CDPL::Chem::PatternAtomTyper::getPattern |
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std::size_t |
idx | ) |
const |
◆ removePattern() [1/2]
void CDPL::Chem::PatternAtomTyper::removePattern |
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std::size_t |
idx | ) |
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◆ removePattern() [2/2]
void CDPL::Chem::PatternAtomTyper::removePattern |
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const PatternIterator & |
ptn_it | ) |
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◆ clear()
void CDPL::Chem::PatternAtomTyper::clear |
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◆ getNumPatterns()
std::size_t CDPL::Chem::PatternAtomTyper::getNumPatterns |
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const |
◆ getPatternsBegin() [1/2]
◆ getPatternsEnd() [1/2]
◆ getPatternsBegin() [2/2]
◆ getPatternsEnd() [2/2]
◆ begin() [1/2]
◆ end() [1/2]
◆ begin() [2/2]
◆ end() [2/2]
◆ hasAtomLabel()
bool CDPL::Chem::PatternAtomTyper::hasAtomLabel |
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std::size_t |
idx | ) |
const |
◆ getAtomLabel()
std::size_t CDPL::Chem::PatternAtomTyper::getAtomLabel |
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std::size_t |
idx | ) |
const |
◆ getPatternIndex()
std::size_t CDPL::Chem::PatternAtomTyper::getPatternIndex |
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std::size_t |
idx | ) |
const |
◆ execute()
void CDPL::Chem::PatternAtomTyper::execute |
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const MolecularGraph & |
molgraph | ) |
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◆ operator=()
The documentation for this class was generated from the following file: